SCHEMBL6070039

SCHEMBL6070039

O=C(Nc1ccc(C(=O)N(c2ccc(OCC(F)F)c(O[C@@H]3CCOC3)c2)S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.38
GAA P10253 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
EGFR P00533 1/20 0.35
ITK Q08881 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GNRHR P30968 1/20 0.35
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2925598 0.92 PDE4D (0.47) GRM4GAAPDE4APDE4BPDE4C
SCHEMBL2926129 0.81 PDE4D (0.51) GRM4GAAPDE4APDE4BPDE4C
SCHEMBL2930478 0.80 PDE4D (0.49) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL2926443 0.80 PDE4D (0.44) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL2926474 0.73 POLB (0.55) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL2925618 0.73 PDE4D (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6526545 0.71 PDE4D (0.41) GRM4PDE4APDE4BPDE4CPDE4D
SCHEMBL6070585 0.70 POLB (0.56) GAAALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL6532215 0.70 PDE4D (0.43) GRM4PDE4APDE4BPDE4CPDE4D
SCHEMBL2924650 0.67 PTGS2 (0.47) GAAPDE4APDE4BPDE4CPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B GRM4 414/4885GAA 3954/4885PDE4A 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.